#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1abj s VAL 17 N 0.00 5.17 -0.94 1.39 1.01 0.07 -4.21 120.40 122.89 1abj s VAL 17 Ca 0.00 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 1abj s VAL 17 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1abj s VAL 17 CO 0.00 0.19 0.06 -0.62 0.00 0.00 0.00 175.10 174.73 1abj n GLU 18 N 5.00 -1.24 0.00 2.72 -0.58 -1.26 -1.93 120.64 123.34 1abj n GLU 18 Ca -0.08 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1abj n GLU 18 Cb 0.51 -4.64 0.00 0.00 -0.57 0.00 0.00 31.44 26.73 1abj n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1abj n GLY 19 N -1.04 1.69 3.42 0.62 0.00 -1.26 -4.69 105.19 103.94 1abj n GLY 19 Ca -0.12 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 1abj n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1abj s SER 20 N -1.00 -0.51 0.06 1.61 1.04 -0.63 -4.92 113.70 109.35 1abj s SER 20 Ca 0.00 0.30 -0.34 0.00 0.48 0.00 0.00 55.95 56.39 1abj s SER 20 Cb 0.00 0.51 -0.13 0.00 0.10 0.00 0.00 66.02 66.50 1abj s SER 20 CO 0.00 -0.71 1.69 0.47 0.98 0.00 0.00 173.24 175.68 1abj n ASP 21 N 0.49 3.22 -4.76 7.02 9.92 -1.26 -0.29 116.55 130.88 1abj n ASP 21 Ca -0.18 1.04 -0.34 0.00 -0.53 0.00 0.00 54.79 54.77 1abj n ASP 21 Cb 0.60 -1.40 0.04 0.00 -0.64 0.00 0.00 41.12 39.71 1abj n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1abj s ALA 22 N 2.15 2.51 0.53 2.24 0.00 0.22 -4.83 121.76 124.58 1abj s ALA 22 Ca 0.84 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 1abj s ALA 22 Cb -0.69 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.00 1abj s ALA 22 CO 0.43 -1.18 0.94 -1.21 0.00 0.00 0.00 175.76 174.74 1abj s GLU 23 N -3.67 3.72 0.20 0.00 2.02 -1.26 -4.84 118.70 114.87 1abj s GLU 23 Ca 0.72 0.68 -0.30 0.00 0.02 0.00 0.00 54.97 56.08 1abj s GLU 23 Cb -0.25 -2.19 -0.09 0.00 0.10 0.00 0.00 34.13 31.70 1abj s GLU 23 CO 0.36 -0.34 1.40 0.42 0.02 0.00 0.00 175.26 177.11 1abj s ILE 24 N -2.83 2.95 0.00 -1.63 1.01 -1.26 -2.72 121.20 116.72 1abj s ILE 24 Ca 0.54 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1abj s ILE 24 Cb -0.10 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1abj s ILE 24 CO 0.42 0.10 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1abj n GLY 25 N 2.57 0.37 0.25 6.18 0.00 -1.26 -4.87 105.19 108.42 1abj n GLY 25 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1abj n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1abj h MET 26 N 0.99 0.00 -1.59 1.61 4.05 -1.88 -3.35 114.93 114.77 1abj h MET 26 Ca 0.00 0.00 -0.43 0.00 -0.28 0.00 0.00 59.70 58.99 1abj h MET 26 Cb 0.23 0.00 -0.30 0.00 -0.80 0.00 0.00 31.60 30.73 1abj h MET 26 CO 0.00 0.14 -0.83 0.45 0.23 0.00 0.00 176.91 176.89 1abj n SER 27 N -3.94 -1.33 0.02 1.39 2.88 -1.26 -4.99 113.62 106.39 1abj n SER 27 Ca -0.02 -2.73 0.02 0.00 -1.33 0.00 0.00 58.87 54.81 1abj n SER 27 Cb 0.23 0.30 0.12 0.00 -0.75 0.00 0.00 64.21 64.11 1abj n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1abj n PRO 28 N 2.26 0.02 0.00 -1.46 -0.04 -1.26 -1.55 135.00 132.98 1abj n PRO 28 Ca 0.22 0.49 0.10 0.00 -0.04 0.00 0.00 63.50 64.27 1abj n PRO 28 Cb 0.54 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1abj n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1abj n TRP 29 N -1.62 0.00 -1.71 0.54 2.14 -1.05 -1.86 117.44 113.89 1abj n TRP 29 Ca 0.00 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1abj n TRP 29 Cb 0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.50 1abj n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1abj n GLN 30 N -0.51 2.43 -4.32 -2.67 -0.06 -0.59 -0.56 117.38 111.10 1abj n GLN 30 Ca 0.07 0.87 -0.20 0.00 -2.00 0.00 0.00 57.00 55.74 1abj n GLN 30 Cb 0.40 -2.62 -0.13 0.00 -4.06 0.00 0.00 30.24 23.83 1abj n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1abj s VAL 31 N 0.28 1.20 -0.32 1.69 1.01 0.27 -4.25 120.40 120.29 1abj s VAL 31 Ca 0.69 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1abj s VAL 31 Cb -0.57 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 34.74 1abj s VAL 31 CO 0.45 -0.05 0.08 -0.32 0.00 0.00 0.00 175.10 175.26 1abj s MET 32 N -1.38 2.74 0.03 2.72 1.75 -0.68 -1.70 119.30 122.78 1abj s MET 32 Ca 0.01 -1.09 -0.30 0.00 -1.25 0.00 0.00 55.69 53.06 1abj s MET 32 Cb -0.09 -3.40 -0.05 0.00 2.84 0.00 0.00 34.83 34.14 1abj s MET 32 CO 0.02 -0.59 1.17 -0.51 -0.65 0.00 0.00 175.02 174.45 1abj s LEU 33 N 1.41 4.36 -0.02 4.11 1.43 0.17 -2.28 118.68 127.86 1abj s LEU 33 Ca -0.01 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 55.03 1abj s LEU 33 Cb -0.19 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.47 1abj s LEU 33 CO 0.02 -0.46 -0.02 0.12 0.23 0.00 0.00 176.35 176.25 1abj s PHE 34 N 1.24 0.31 0.06 0.29 2.19 -0.96 -1.27 117.98 119.83 1abj s PHE 34 Ca 0.57 -0.03 -0.30 0.00 0.33 0.00 0.00 56.93 57.50 1abj s PHE 34 Cb -0.27 -0.30 -0.05 0.00 -1.31 0.00 0.00 43.02 41.09 1abj s PHE 34 CO 0.28 -0.07 1.14 0.50 1.83 0.00 0.00 175.22 178.90 1abj s ARG 35 N 0.45 4.48 0.15 10.12 3.52 -0.11 -0.30 118.95 137.26 1abj s ARG 35 Ca -0.04 1.68 -0.15 0.00 -0.13 0.00 0.00 55.73 57.08 1abj s ARG 35 Cb -0.07 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 1abj s ARG 35 CO -0.01 -0.18 1.75 0.87 -0.81 0.00 0.00 175.30 176.92 1abj h LYS 36 N 6.66 0.63 -1.11 5.12 1.57 -0.75 -3.08 116.57 125.61 1abj h LYS 36 Ca -0.42 -0.08 0.16 0.00 -1.87 0.00 0.00 60.65 58.45 1abj h LYS 36 Cb 1.22 -0.12 -0.26 0.00 0.08 0.00 0.00 32.23 33.15 1abj h LYS 36 CO 0.79 0.51 0.33 -1.54 -0.57 0.00 0.00 179.45 178.97 1abj s SER 36 N -5.77 -0.49 0.44 0.86 1.04 -1.26 -3.87 113.70 104.65 1abj s SER 36 Ca -0.13 0.71 -0.25 0.00 0.48 0.00 0.00 55.95 56.75 1abj s SER 36 Cb 0.11 1.44 -0.09 0.00 0.10 0.00 0.00 66.02 67.58 1abj s SER 36 CO 0.75 -0.10 1.38 -2.65 0.98 0.00 0.00 173.24 173.59 1abj n PRO 37 N 4.43 2.16 -1.86 4.02 -0.01 -1.26 -5.06 135.00 137.43 1abj n PRO 37 Ca -0.12 0.77 -0.42 0.00 -0.01 0.00 0.00 63.50 63.72 1abj n PRO 37 Cb 0.55 -2.55 -0.03 0.00 -0.01 0.00 0.00 33.50 31.46 1abj n PRO 37 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 175.50 174.84 1abj s GLN 38 N -2.35 3.07 0.00 -0.52 -0.21 -1.25 -4.63 119.66 113.77 1abj s GLN 38 Ca 0.61 1.49 -0.11 0.00 0.02 0.00 0.00 55.36 57.37 1abj s GLN 38 Cb -0.47 -4.30 0.01 0.00 1.00 0.00 0.00 33.01 29.25 1abj s GLN 38 CO 0.58 -2.17 0.22 -1.83 -2.12 0.00 0.00 175.29 169.97 1abj s GLU 39 N 6.26 0.59 -0.07 2.91 -1.05 -1.16 -4.97 118.70 121.21 1abj s GLU 39 Ca 0.86 -0.34 -0.30 0.00 -0.15 0.00 0.00 54.97 55.04 1abj s GLU 39 Cb -0.23 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.68 1abj s GLU 39 CO 0.32 -0.15 1.17 -1.17 0.95 0.00 0.00 175.26 176.37 1abj s LEU 40 N -1.45 4.27 -0.26 1.83 0.20 -1.26 -0.93 118.68 121.07 1abj s LEU 40 Ca -0.13 1.76 -0.15 0.00 0.69 0.00 0.00 54.13 56.29 1abj s LEU 40 Cb -0.06 -3.56 -0.13 0.00 -0.43 0.00 0.00 46.19 42.02 1abj s LEU 40 CO 0.02 -0.57 -0.26 0.18 -0.29 0.00 0.00 176.35 175.43 1abj n LEU 41 N 5.21 1.94 -3.91 -0.68 4.32 -0.40 -4.95 117.00 118.53 1abj n LEU 41 Ca 0.11 0.36 -0.09 0.00 -0.02 0.00 0.00 56.01 56.36 1abj n LEU 41 Cb 0.47 -0.84 -0.02 0.00 -1.62 0.00 0.00 43.42 41.41 1abj n LEU 41 CO 0.55 0.48 0.38 0.00 -1.22 0.00 0.00 177.39 177.57 1abj s GLY 43 N -3.03 1.80 -0.14 0.00 0.00 -0.56 0.44 107.32 105.83 1abj s GLY 43 Ca 0.18 -1.61 -0.34 0.00 0.00 0.00 0.00 44.72 42.95 1abj s GLY 43 CO 0.11 -1.20 1.37 0.00 0.00 0.00 0.00 173.10 173.38 1abj s ALA 44 N -2.86 -2.33 0.04 3.20 0.00 -0.69 -3.75 121.76 115.36 1abj s ALA 44 Ca 0.61 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.79 1abj s ALA 44 Cb -0.08 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1abj s ALA 44 CO 0.40 -0.88 -0.05 -1.54 0.00 0.00 0.00 175.76 173.69 1abj s SER 45 N -2.66 0.59 -0.32 0.00 1.04 -0.11 0.98 113.70 113.22 1abj s SER 45 Ca 0.13 -0.60 -0.28 0.00 0.48 0.00 0.00 55.95 55.68 1abj s SER 45 Cb 0.04 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1abj s SER 45 CO -0.05 -0.29 1.04 -0.22 0.98 0.00 0.00 173.24 174.70 1abj s LEU 46 N -1.74 3.95 -0.09 2.42 2.96 0.27 -0.67 118.68 125.79 1abj s LEU 46 Ca -0.10 0.99 0.13 0.00 -0.22 0.00 0.00 54.13 54.93 1abj s LEU 46 Cb -0.07 -3.48 0.20 0.00 0.50 0.00 0.00 46.19 43.33 1abj s LEU 46 CO -0.01 -0.85 1.10 2.30 -1.32 0.00 0.00 176.35 177.56 1abj n ILE 47 N 5.84 1.57 -0.52 6.68 -5.35 -0.99 -1.86 119.36 124.73 1abj n ILE 47 Ca 0.11 -1.83 0.00 0.00 -0.27 0.00 0.00 62.75 60.76 1abj n ILE 47 Cb 0.47 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1abj n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1abj n SER 48 N -1.12 0.00 -1.13 7.28 3.41 -1.22 -4.86 113.62 115.97 1abj n SER 48 Ca 0.11 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.82 1abj n SER 48 Cb 0.53 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.75 1abj n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1abj n ASP 49 N 0.84 3.30 0.00 4.04 5.75 -1.26 -4.06 116.55 125.15 1abj n ASP 49 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1abj n ASP 49 Cb 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1abj n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1abj n ARG 50 N 1.32 3.01 -4.73 0.11 5.12 -1.26 0.11 116.66 120.34 1abj n ARG 50 Ca 0.21 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.79 1abj n ARG 50 Cb 0.53 -0.74 -0.12 0.00 -1.16 0.00 0.00 32.46 30.97 1abj n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1abj s TRP 51 N -1.01 2.84 -0.03 -1.55 0.52 -1.26 -0.56 118.94 117.90 1abj s TRP 51 Ca 0.00 -0.16 0.05 0.00 0.02 0.00 0.00 56.10 56.01 1abj s TRP 51 Cb 0.00 -1.72 -0.01 0.00 -1.15 0.00 0.00 33.47 30.59 1abj s TRP 51 CO 0.00 0.17 -0.18 0.08 0.02 0.00 0.00 176.95 177.04 1abj s VAL 52 N -0.52 1.47 -0.10 4.03 1.01 0.42 -2.35 120.40 124.36 1abj s VAL 52 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1abj s VAL 52 Cb -0.12 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1abj s VAL 52 CO 0.02 0.42 -0.10 -0.22 0.00 0.00 0.00 175.10 175.22 1abj s LEU 53 N -0.20 2.92 0.00 3.92 2.96 0.16 -0.47 118.68 127.97 1abj s LEU 53 Ca 0.02 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1abj s LEU 53 Cb -0.09 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.95 1abj s LEU 53 CO 0.01 0.25 0.00 1.07 -1.32 0.00 0.00 176.35 176.36 1abj n THR 54 N 2.96 0.00 -3.90 3.68 5.66 -0.77 -0.93 114.28 120.98 1abj n THR 54 Ca -0.18 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 1abj n THR 54 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 1abj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1abj s ALA 55 N -1.66 3.73 0.34 1.79 0.00 -1.26 -2.35 121.76 122.35 1abj s ALA 55 Ca 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 51.96 51.37 1abj s ALA 55 Cb 0.00 -1.97 0.81 0.00 0.00 0.00 0.00 23.12 21.96 1abj s ALA 55 CO 0.00 0.47 1.83 0.00 0.00 0.00 0.00 175.76 178.05 1abj h ALA 56 N 5.56 1.82 0.00 0.00 0.00 -1.71 -1.70 119.26 123.23 1abj h ALA 56 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1abj h ALA 56 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1abj h ALA 56 CO 0.63 -0.11 0.00 -2.39 0.00 0.00 0.00 179.25 177.38 1abj n HIS 57 N -4.63 0.00 -0.06 0.00 1.44 -1.25 -0.40 115.22 110.31 1abj n HIS 57 Ca 0.20 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.77 1abj n HIS 57 Cb 0.54 -0.49 -0.04 0.00 0.12 0.00 0.00 29.99 30.13 1abj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1abj n LEU 59 N -3.99 2.28 -3.73 0.00 4.77 -0.55 -4.88 117.00 110.90 1abj n LEU 59 Ca -0.05 -0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.59 1abj n LEU 59 Cb 0.65 -0.57 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 1abj n LEU 59 CO 0.50 0.83 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.80 1abj s LEU 60 N -6.24 0.67 0.01 2.23 2.96 0.46 -0.11 118.68 118.66 1abj s LEU 60 Ca -0.28 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.09 1abj s LEU 60 Cb 0.08 -0.43 0.04 0.00 0.50 0.00 0.00 46.19 46.38 1abj s LEU 60 CO 0.64 -0.25 0.47 -0.47 -1.32 0.00 0.00 176.35 175.41 1abj s TYR 60 N 1.98 -0.36 0.00 5.38 5.04 -0.54 -3.92 117.35 124.93 1abj s TYR 60 Ca 0.03 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 1abj s TYR 60 Cb -0.14 0.26 0.00 0.00 0.35 0.00 0.00 41.96 42.43 1abj s TYR 60 CO -0.06 -0.55 0.00 -2.30 -1.34 0.00 0.00 175.55 171.30 1abj n PRO 60 N 0.75 0.00 -0.21 4.97 -0.02 -1.26 -0.94 135.00 138.29 1abj n PRO 60 Ca -0.19 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.35 1abj n PRO 60 Cb 0.58 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.22 1abj n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1abj n TRP 60 N 0.00 0.45 -1.13 6.00 7.02 -1.26 -4.98 117.44 123.55 1abj n TRP 60 Ca 0.00 -0.69 -0.04 0.00 -1.02 0.00 0.00 57.50 55.74 1abj n TRP 60 Cb 0.00 -0.14 -0.02 0.00 -2.42 0.00 0.00 31.31 28.73 1abj n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1abj n ASP 60 N -0.29 -3.92 -4.69 -0.99 8.00 -1.13 -5.00 116.55 108.54 1abj n ASP 60 Ca 0.13 0.11 -0.40 0.00 0.71 0.00 0.00 54.79 55.34 1abj n ASP 60 Cb 0.57 -1.80 -0.05 0.00 -0.02 0.00 0.00 41.12 39.81 1abj n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1abj s LYS 60 N -1.87 4.30 -0.49 -1.24 2.20 -0.12 -5.00 119.74 117.52 1abj s LYS 60 Ca 0.00 0.68 0.06 0.00 -0.36 0.00 0.00 55.97 56.34 1abj s LYS 60 Cb 0.00 -3.52 0.22 0.00 -1.51 0.00 0.00 37.83 33.02 1abj s LYS 60 CO 0.00 -0.09 0.84 -1.71 -0.36 0.00 0.00 175.35 174.03 1abj n ASN 60 N 4.46 -3.04 -4.76 1.43 5.15 -1.21 -1.46 115.26 115.84 1abj n ASN 60 Ca -0.02 -3.00 -0.40 0.00 -0.60 0.00 0.00 54.58 50.56 1abj n ASN 60 Cb 0.50 1.72 -0.05 0.00 -0.53 0.00 0.00 39.78 41.42 1abj n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1abj s PHE 60 N 0.76 3.87 0.21 1.20 0.08 0.84 -5.00 117.98 119.94 1abj s PHE 60 Ca 0.31 1.69 0.07 0.00 0.12 0.00 0.00 56.93 59.12 1abj s PHE 60 Cb 0.13 -2.88 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 1abj s PHE 60 CO -0.15 0.40 0.06 0.95 -0.10 0.00 0.00 175.22 176.38 1abj s THR 60 N -0.71 3.93 0.24 0.64 -4.23 -1.26 -4.84 115.64 109.41 1abj s THR 60 Ca 0.39 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1abj s THR 60 Cb -0.23 -3.05 0.28 0.00 1.34 0.00 0.00 72.50 70.84 1abj s THR 60 CO 0.27 -0.22 1.12 -0.62 -0.54 0.00 0.00 174.62 174.63 1abj n GLU 61 N -0.57 -0.05 -0.08 3.99 4.71 -1.26 0.89 120.64 128.27 1abj n GLU 61 Ca -0.08 1.03 -0.07 0.00 -0.01 0.00 0.00 57.16 58.03 1abj n GLU 61 Cb 0.57 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 1abj n GLU 61 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1abj h ASN 62 N 0.00 -0.05 0.24 1.62 2.35 -1.93 -2.86 115.58 114.95 1abj h ASN 62 Ca 0.52 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.33 1abj h ASN 62 Cb 1.24 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1abj h ASN 62 CO -0.61 0.01 0.00 0.47 -1.65 0.00 0.00 177.43 175.65 1abj n ASP 63 N -5.12 0.53 -4.34 5.81 8.00 0.26 -4.81 116.55 116.87 1abj n ASP 63 Ca 0.00 0.70 -0.18 0.00 0.71 0.00 0.00 54.79 56.03 1abj n ASP 63 Cb 0.14 -0.79 -0.10 0.00 -0.02 0.00 0.00 41.12 40.35 1abj n ASP 63 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1abj s LEU 64 N -4.33 2.23 0.39 0.64 0.05 -1.08 0.01 118.68 116.59 1abj s LEU 64 Ca 0.00 -1.22 0.08 0.00 0.05 0.00 0.00 54.13 53.04 1abj s LEU 64 Cb 0.07 -0.32 -0.02 0.00 -2.05 0.00 0.00 46.19 43.86 1abj s LEU 64 CO 0.24 -0.49 0.33 -0.76 -0.55 0.00 0.00 176.35 175.13 1abj s LEU 65 N -3.33 3.44 -0.14 1.48 1.02 0.60 -4.44 118.68 117.30 1abj s LEU 65 Ca 0.29 -0.68 -0.07 0.00 0.02 0.00 0.00 54.13 53.68 1abj s LEU 65 Cb 0.05 -2.06 0.05 0.00 0.02 0.00 0.00 46.19 44.25 1abj s LEU 65 CO 0.09 -0.54 0.34 0.54 0.02 0.00 0.00 176.35 176.80 1abj s VAL 66 N -2.42 -0.05 -0.17 -1.59 0.11 -0.61 -2.27 120.40 113.38 1abj s VAL 66 Ca 0.45 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.63 1abj s VAL 66 Cb -0.04 -0.51 0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1abj s VAL 66 CO 0.27 0.05 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.78 1abj s ARG 67 N 1.40 2.76 -0.03 1.54 0.52 -0.97 0.24 118.95 124.41 1abj s ARG 67 Ca -0.09 -0.76 0.06 0.00 -0.52 0.00 0.00 55.73 54.42 1abj s ARG 67 Cb -0.09 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 1abj s ARG 67 CO -0.11 -0.23 -0.20 0.42 0.02 0.00 0.00 175.30 175.20 1abj s ILE 68 N 1.35 2.56 0.00 1.52 1.01 0.20 -1.69 121.20 126.15 1abj s ILE 68 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1abj s ILE 68 Cb -0.13 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1abj s ILE 68 CO -0.12 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1abj n GLY 69 N 2.34 0.63 3.81 6.18 0.00 -1.26 -0.47 105.19 116.43 1abj n GLY 69 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1abj n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1abj s LYS 70 N -0.77 3.69 0.09 1.61 1.02 -1.26 -4.33 119.74 119.80 1abj s LYS 70 Ca 0.00 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1abj s LYS 70 Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1abj s LYS 70 CO 0.00 -0.50 0.00 1.58 -0.92 0.00 0.00 175.35 175.51 1abj n HIS 71 N -1.42 -0.57 -2.09 3.18 -0.00 -1.26 -4.97 115.22 108.09 1abj n HIS 71 Ca 0.08 0.10 -0.41 0.00 -0.00 0.00 0.00 57.72 57.50 1abj n HIS 71 Cb 0.53 0.24 -0.02 0.00 -0.00 0.00 0.00 29.99 30.74 1abj n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1abj s SER 72 N -5.07 6.74 0.02 0.26 0.15 -1.26 -1.83 113.70 112.70 1abj s SER 72 Ca 0.00 2.72 -0.17 0.00 0.70 0.00 0.00 55.95 59.20 1abj s SER 72 Cb 0.00 -2.65 -0.31 0.00 -1.71 0.00 0.00 66.02 61.35 1abj s SER 72 CO 0.00 -0.56 1.03 -0.09 1.20 0.00 0.00 173.24 174.82 1abj h ARG 73 N 3.36 0.52 0.03 5.44 2.43 -1.53 -3.40 114.38 121.24 1abj h ARG 73 Ca -0.49 -0.77 -0.39 0.00 -0.81 0.00 0.00 59.98 57.52 1abj h ARG 73 Cb 1.23 0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 30.99 1abj h ARG 73 CO 0.65 1.35 -2.37 -2.37 -1.51 0.00 0.00 179.97 175.73 1abj n THR 74 N -3.88 1.56 -3.76 0.20 5.66 -1.26 -4.98 114.28 107.82 1abj n THR 74 Ca -0.14 -0.57 -0.36 0.00 -3.05 0.00 0.00 64.05 59.92 1abj n THR 74 Cb 0.96 -1.52 -0.07 0.00 -1.55 0.00 0.00 70.33 68.16 1abj n THR 74 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1abj s ARG 75 N -2.53 3.85 -0.15 1.09 3.00 -1.26 -5.05 118.95 117.91 1abj s ARG 75 Ca -0.32 -0.12 -0.29 0.00 0.00 0.00 0.00 55.73 55.00 1abj s ARG 75 Cb 0.09 -3.31 -0.06 0.00 0.00 0.00 0.00 34.95 31.67 1abj s ARG 75 CO 0.63 0.53 2.12 -0.47 0.00 0.00 0.00 175.30 178.11 1abj s TYR 76 N -0.32 1.24 -0.57 -0.53 5.04 -1.26 -4.63 117.35 116.32 1abj s TYR 76 Ca 0.13 0.26 -0.14 0.00 -2.44 0.00 0.00 57.07 54.87 1abj s TYR 76 Cb -0.12 -4.02 0.14 0.00 0.35 0.00 0.00 41.96 38.31 1abj s TYR 76 CO 0.02 -4.44 0.51 -1.21 -1.34 0.00 0.00 175.55 169.09 1abj s GLU 77 N 5.76 2.99 0.00 4.97 2.02 -1.26 -5.01 118.70 128.17 1abj s GLU 77 Ca 0.96 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1abj s GLU 77 Cb -0.35 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 29.63 1abj s GLU 77 CO 0.37 -1.30 0.58 -2.13 0.02 0.00 0.00 175.26 172.80 1abj n ARG 77 N 4.97 0.00 -0.59 1.61 0.63 -1.26 -1.62 116.66 120.41 1abj n ARG 77 Ca -0.09 0.58 0.09 0.00 -0.92 0.00 0.00 57.85 57.51 1abj n ARG 77 Cb 0.41 -0.98 0.34 0.00 0.45 0.00 0.00 32.46 32.68 1abj n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1abj n ASN 78 N -1.75 4.55 -0.06 6.15 5.03 -1.26 -4.36 115.26 123.56 1abj n ASN 78 Ca 0.00 -2.41 -0.06 0.00 0.87 0.00 0.00 54.58 52.98 1abj n ASN 78 Cb 0.00 -0.57 -0.02 0.00 -1.02 0.00 0.00 39.78 38.18 1abj n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1abj n ILE 79 N 1.10 1.15 -2.18 2.41 2.08 -1.14 -5.02 119.36 117.75 1abj n ILE 79 Ca 0.25 0.24 -0.33 0.00 0.56 0.00 0.00 62.75 63.47 1abj n ILE 79 Cb 0.85 -2.18 -0.01 0.00 -0.75 0.00 0.00 39.64 37.56 1abj n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1abj s GLU 80 N -2.29 3.54 -0.06 0.38 -1.05 -0.64 -4.68 118.70 113.90 1abj s GLU 80 Ca -0.18 1.14 0.00 0.00 -0.15 0.00 0.00 54.97 55.78 1abj s GLU 80 Cb 0.03 -2.07 0.02 0.00 -0.44 0.00 0.00 34.13 31.67 1abj s GLU 80 CO 0.27 -0.62 -0.04 0.15 0.95 0.00 0.00 175.26 175.97 1abj s LYS 81 N -4.01 0.94 -0.31 -4.83 3.01 0.39 -4.93 119.74 110.00 1abj s LYS 81 Ca 0.62 -0.09 -0.11 0.00 -1.01 0.00 0.00 55.97 55.38 1abj s LYS 81 Cb -0.14 -1.04 -0.02 0.00 -1.01 0.00 0.00 37.83 35.61 1abj s LYS 81 CO 0.34 -0.17 0.19 0.42 0.51 0.00 0.00 175.35 176.65 1abj s ILE 82 N 1.34 5.05 0.24 2.17 1.01 -1.25 -0.63 121.20 129.13 1abj s ILE 82 Ca -0.04 -0.16 0.11 0.00 0.00 0.00 0.00 60.65 60.56 1abj s ILE 82 Cb -0.14 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 1abj s ILE 82 CO -0.03 0.10 -0.17 -0.44 0.00 0.00 0.00 174.94 174.41 1abj s SER 83 N 1.70 3.76 0.14 3.58 0.01 0.14 -4.93 113.70 118.10 1abj s SER 83 Ca 0.06 -0.87 0.06 0.00 1.31 0.00 0.00 55.95 56.51 1abj s SER 83 Cb -0.17 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1abj s SER 83 CO 0.09 0.07 0.01 -0.04 0.41 0.00 0.00 173.24 173.78 1abj s MET 84 N -3.19 2.51 -0.01 12.44 -1.94 -1.26 -1.58 119.30 126.27 1abj s MET 84 Ca 0.27 -0.99 -0.09 0.00 -1.71 0.00 0.00 55.69 53.17 1abj s MET 84 Cb -0.07 -2.45 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 1abj s MET 84 CO 0.14 0.49 0.29 -0.51 -0.01 0.00 0.00 175.02 175.42 1abj s LEU 85 N -2.74 4.39 -0.21 -0.03 1.43 -1.26 -0.37 118.68 119.90 1abj s LEU 85 Ca 0.27 0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 53.87 1abj s LEU 85 Cb -0.10 -2.58 -0.12 0.00 0.03 0.00 0.00 46.19 43.42 1abj s LEU 85 CO 0.19 0.29 -0.13 1.21 0.23 0.00 0.00 176.35 178.14 1abj n GLU 86 N 1.41 0.54 -4.05 1.70 2.13 -0.51 -4.69 120.64 117.17 1abj n GLU 86 Ca -0.13 0.42 -0.07 0.00 0.66 0.00 0.00 57.16 58.03 1abj n GLU 86 Cb 0.53 -1.61 -0.10 0.00 0.27 0.00 0.00 31.44 30.53 1abj n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1abj s LYS 87 N -2.47 0.60 -0.09 5.31 2.47 -1.16 -4.95 119.74 119.45 1abj s LYS 87 Ca -0.29 -1.13 -0.00 0.00 -1.56 0.00 0.00 55.97 52.99 1abj s LYS 87 Cb 0.07 0.21 0.02 0.00 -1.46 0.00 0.00 37.83 36.68 1abj s LYS 87 CO 0.46 -0.12 -0.06 0.42 0.16 0.00 0.00 175.35 176.20 1abj s ILE 88 N -3.65 0.86 -0.24 5.43 1.01 -1.26 -2.44 121.20 120.91 1abj s ILE 88 Ca 0.04 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1abj s ILE 88 Cb 0.06 -0.89 0.05 0.00 0.01 0.00 0.00 42.46 41.69 1abj s ILE 88 CO -0.09 0.33 -0.11 -0.31 0.00 0.00 0.00 174.94 174.76 1abj s TYR 89 N 1.52 2.98 -0.14 3.97 2.02 0.74 -4.99 117.35 123.45 1abj s TYR 89 Ca 0.00 -2.08 -0.06 0.00 -0.37 0.00 0.00 57.07 54.57 1abj s TYR 89 Cb -0.13 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 1abj s TYR 89 CO -0.05 -0.84 0.06 0.42 -1.57 0.00 0.00 175.55 173.57 1abj s ILE 90 N 1.20 4.78 -0.03 2.71 1.01 -1.26 0.54 121.20 130.15 1abj s ILE 90 Ca -0.06 -0.05 -0.36 0.00 0.00 0.00 0.00 60.65 60.18 1abj s ILE 90 Cb -0.19 -3.09 -0.14 0.00 0.01 0.00 0.00 42.46 39.05 1abj s ILE 90 CO -0.06 0.54 1.69 1.57 0.00 0.00 0.00 174.94 178.67 1abj n HIS 91 N 2.79 2.14 0.27 3.97 -0.00 -1.16 -4.83 115.22 118.40 1abj n HIS 91 Ca -0.18 0.27 0.18 0.00 -0.00 0.00 0.00 57.72 57.99 1abj n HIS 91 Cb 0.53 -2.54 0.91 0.00 -0.00 0.00 0.00 29.99 28.89 1abj n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1abj h PRO 92 N 7.19 0.00 -0.09 1.57 0.13 -1.95 -2.85 132.00 136.00 1abj h PRO 92 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1abj h PRO 92 Cb 1.29 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 1abj h PRO 92 CO 0.91 0.00 -0.56 0.54 -0.23 0.00 0.00 178.00 178.66 1abj n ARG 93 N -3.35 1.77 -2.01 0.86 1.74 -1.26 -5.04 116.66 109.36 1abj n ARG 93 Ca -0.00 -3.36 -0.42 0.00 -0.77 0.00 0.00 57.85 53.29 1abj n ARG 93 Cb 0.30 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 1abj n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1abj s TYR 94 N -3.18 2.29 -0.90 -1.55 5.04 -1.08 -4.72 117.35 113.25 1abj s TYR 94 Ca 0.39 0.35 -0.12 0.00 -2.44 0.00 0.00 57.07 55.25 1abj s TYR 94 Cb 0.37 -3.89 0.23 0.00 0.35 0.00 0.00 41.96 39.03 1abj s TYR 94 CO -0.06 -3.62 0.84 1.21 -1.34 0.00 0.00 175.55 172.59 1abj s ASN 95 N 2.75 6.82 0.47 4.32 3.84 0.17 -4.81 114.94 128.50 1abj s ASN 95 Ca 0.72 -2.97 0.26 0.00 0.21 0.00 0.00 52.86 51.08 1abj s ASN 95 Cb -0.35 -2.19 0.63 0.00 -0.55 0.00 0.00 41.25 38.80 1abj s ASN 95 CO 0.30 -0.48 1.72 4.11 -2.79 0.00 0.00 177.10 179.96 1abj h TRP 96 N 7.40 0.00 -0.31 0.43 5.08 -1.93 0.36 115.95 126.98 1abj h TRP 96 Ca 0.12 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.94 1abj h TRP 96 Cb 0.99 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.14 1abj h TRP 96 CO 0.94 0.00 -0.43 0.00 -1.28 0.00 0.00 178.44 177.67 1abj h ARG 97 N 0.00 0.79 0.00 0.12 3.08 -2.00 -3.44 114.38 112.93 1abj h ARG 97 Ca 0.00 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1abj h ARG 97 Cb 0.86 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1abj h ARG 97 CO 0.00 1.06 0.00 -1.91 -1.07 0.00 0.00 179.97 178.05 1abj n GLU 97 N -4.03 0.00 -0.16 0.04 2.13 -1.20 -4.97 120.64 112.44 1abj n GLU 97 Ca -0.02 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.84 1abj n GLU 97 Cb 0.56 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.39 1abj n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1abj n ASN 98 N -2.26 2.78 -2.99 4.31 6.94 -1.22 -4.98 115.26 117.84 1abj n ASN 98 Ca 0.00 -2.24 -0.19 0.00 -0.02 0.00 0.00 54.58 52.13 1abj n ASN 98 Cb 0.00 -0.23 0.07 0.00 -2.36 0.00 0.00 39.78 37.25 1abj n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1abj n LEU 99 N -0.07 -3.18 -4.67 -4.53 4.32 0.13 -4.95 117.00 104.04 1abj n LEU 99 Ca 0.10 -0.44 -0.43 0.00 -0.02 0.00 0.00 56.01 55.23 1abj n LEU 99 Cb 0.47 -2.55 -0.02 0.00 -1.62 0.00 0.00 43.42 39.69 1abj n LEU 99 CO 0.06 0.51 1.09 -0.62 -1.22 0.00 0.00 177.39 177.21 1abj s ASP 100 N -3.33 6.93 -0.34 -1.43 2.15 -1.19 -3.73 116.67 115.73 1abj s ASP 100 Ca 0.44 1.83 -0.02 0.00 0.43 0.00 0.00 52.55 55.23 1abj s ASP 100 Cb -0.19 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.86 1abj s ASP 100 CO 0.59 -0.73 0.29 0.54 -0.17 0.00 0.00 175.17 175.69 1abj n ARG 101 N 6.17 -0.84 -2.65 4.34 1.74 -1.26 0.43 116.66 124.59 1abj n ARG 101 Ca 0.13 0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 57.06 1abj n ARG 101 Cb 0.45 -2.94 0.00 0.00 -1.02 0.00 0.00 32.46 28.95 1abj n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1abj n ASP 102 N -2.01 5.34 -3.89 0.55 2.03 -1.24 -4.10 116.55 113.22 1abj n ASP 102 Ca -0.03 -3.11 -0.11 0.00 0.52 0.00 0.00 54.79 52.06 1abj n ASP 102 Cb 0.54 -1.47 -0.10 0.00 -0.72 0.00 0.00 41.12 39.37 1abj n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1abj s ILE 103 N 0.15 0.08 0.03 5.18 2.07 -1.26 -3.93 121.20 123.52 1abj s ILE 103 Ca 0.39 -0.68 -0.23 0.00 -1.41 0.00 0.00 60.65 58.73 1abj s ILE 103 Cb 0.04 -0.38 0.05 0.00 0.13 0.00 0.00 42.46 42.30 1abj s ILE 103 CO 0.01 -0.37 0.51 0.00 -1.91 0.00 0.00 174.94 173.19 1abj s ALA 104 N -1.28 -1.31 0.02 1.50 0.00 -0.99 -2.96 121.76 116.73 1abj s ALA 104 Ca -0.14 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.54 1abj s ALA 104 Cb -0.07 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1abj s ALA 104 CO 0.01 -0.46 -0.20 -0.51 0.00 0.00 0.00 175.76 174.61 1abj s LEU 105 N -1.79 2.12 -0.09 0.00 1.43 0.19 -1.85 118.68 118.69 1abj s LEU 105 Ca -0.07 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1abj s LEU 105 Cb -0.01 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.28 1abj s LEU 105 CO 0.01 0.18 -0.10 -0.04 0.23 0.00 0.00 176.35 176.63 1abj s MET 106 N -0.90 1.59 -0.16 1.70 -1.94 0.38 -0.19 119.30 119.78 1abj s MET 106 Ca 0.07 -0.32 -0.03 0.00 -1.71 0.00 0.00 55.69 53.70 1abj s MET 106 Cb -0.08 -1.48 -0.02 0.00 2.01 0.00 0.00 34.83 35.26 1abj s MET 106 CO 0.01 -0.13 -0.06 -1.59 -0.01 0.00 0.00 175.02 173.24 1abj s LYS 107 N 1.20 3.53 0.48 2.03 -2.85 -1.02 0.16 119.74 123.27 1abj s LYS 107 Ca -0.04 -0.59 -0.23 0.00 -1.00 0.00 0.00 55.97 54.11 1abj s LYS 107 Cb -0.14 -2.85 -0.07 0.00 -2.06 0.00 0.00 37.83 32.71 1abj s LYS 107 CO -0.03 0.14 1.24 -0.51 0.10 0.00 0.00 175.35 176.29 1abj s LEU 108 N 0.60 3.97 0.22 2.77 1.43 0.28 -1.42 118.68 126.53 1abj s LEU 108 Ca -0.04 2.48 -0.14 0.00 -1.03 0.00 0.00 54.13 55.40 1abj s LEU 108 Cb -0.15 -4.23 0.26 0.00 0.03 0.00 0.00 46.19 42.10 1abj s LEU 108 CO 0.03 -1.13 1.61 0.11 0.23 0.00 0.00 176.35 177.20 1abj h LYS 109 N 1.89 -0.03 -4.64 1.70 1.79 -0.98 -3.42 116.57 112.89 1abj h LYS 109 Ca -0.50 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.72 1abj h LYS 109 Cb 1.26 0.01 -0.18 0.00 -1.58 0.00 0.00 32.23 31.74 1abj h LYS 109 CO 0.59 -0.02 -0.72 0.15 -1.08 0.00 0.00 179.45 178.38 1abj s LYS 110 N -6.20 0.69 1.15 3.15 3.01 -1.26 -4.95 119.74 115.33 1abj s LYS 110 Ca -0.14 -1.05 -0.12 0.00 -1.01 0.00 0.00 55.97 53.64 1abj s LYS 110 Cb 0.20 -0.27 0.28 0.00 -1.01 0.00 0.00 37.83 37.03 1abj s LYS 110 CO 0.74 0.02 1.04 -1.25 0.51 0.00 0.00 175.35 176.41 1abj s PRO 111 N -2.69 -0.82 0.31 -1.68 0.04 -1.26 -4.83 135.00 124.06 1abj s PRO 111 Ca 0.01 0.96 0.09 0.00 0.04 0.00 0.00 61.00 62.10 1abj s PRO 111 Cb -0.03 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.91 1abj s PRO 111 CO -0.02 -3.70 0.02 0.54 0.04 0.00 0.00 177.00 173.88 1abj s VAL 112 N -2.44 3.01 -0.13 -0.36 0.11 0.31 -4.97 120.40 115.92 1abj s VAL 112 Ca 0.69 -1.93 -0.01 0.00 -2.93 0.00 0.00 61.98 57.80 1abj s VAL 112 Cb -0.25 -2.81 -0.02 0.00 -1.53 0.00 0.00 36.38 31.77 1abj s VAL 112 CO 0.64 -0.28 -0.11 0.00 -3.33 0.00 0.00 175.10 172.03 1abj s ALA 113 N -2.43 2.71 0.48 1.54 0.00 -1.26 -4.74 121.76 118.08 1abj s ALA 113 Ca 0.34 -0.87 -0.21 0.00 0.00 0.00 0.00 51.96 51.21 1abj s ALA 113 Cb -0.03 -1.28 -0.08 0.00 0.00 0.00 0.00 23.12 21.73 1abj s ALA 113 CO 0.20 0.26 1.09 -0.06 0.00 0.00 0.00 175.76 177.25 1abj s PHE 114 N 0.30 2.92 0.00 0.00 0.08 -1.26 -4.89 117.98 115.13 1abj s PHE 114 Ca -0.08 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.54 1abj s PHE 114 Cb -0.15 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 1abj s PHE 114 CO 0.05 -1.14 0.00 -1.13 -0.10 0.00 0.00 175.22 172.90 1abj n SER 115 N -0.84 0.00 0.31 1.36 3.41 0.22 -4.93 113.62 113.14 1abj n SER 115 Ca 0.09 -0.81 0.18 0.00 -0.26 0.00 0.00 58.87 58.06 1abj n SER 115 Cb 0.51 0.00 1.00 0.00 -0.26 0.00 0.00 64.21 65.46 1abj n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1abj h ASP 116 N 0.00 0.00 -0.04 4.04 5.19 -1.99 -2.60 116.42 121.03 1abj h ASP 116 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1abj h ASP 116 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1abj h ASP 116 CO 0.00 0.01 0.00 -1.22 -3.12 0.00 0.00 179.24 174.91 1abj n TYR 117 N -3.51 0.04 -3.65 4.55 4.01 -1.26 -4.73 117.16 112.60 1abj n TYR 117 Ca -0.03 -0.08 -0.27 0.00 -0.16 0.00 0.00 57.90 57.37 1abj n TYR 117 Cb 0.10 -0.01 -0.17 0.00 -0.31 0.00 0.00 39.34 38.96 1abj n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1abj s ILE 118 N -0.59 0.17 -0.27 -0.72 1.01 -0.98 -4.07 121.20 115.76 1abj s ILE 118 Ca 0.08 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1abj s ILE 118 Cb 0.05 -0.82 0.10 0.00 0.01 0.00 0.00 42.46 41.81 1abj s ILE 118 CO 0.08 -0.31 0.61 -2.28 0.00 0.00 0.00 174.94 173.04 1abj s HIS 119 N 2.01 -1.12 0.80 3.97 2.46 -0.77 0.71 115.29 123.35 1abj s HIS 119 Ca 0.02 2.08 -0.10 0.00 0.47 0.00 0.00 55.06 57.52 1abj s HIS 119 Cb -0.16 0.64 0.07 0.00 -0.13 0.00 0.00 32.58 33.00 1abj s HIS 119 CO -0.12 -0.57 1.10 -1.25 -2.47 0.00 0.00 174.74 171.43 1abj s PRO 120 N 2.32 2.01 0.13 2.88 0.04 -1.26 -2.52 135.00 138.60 1abj s PRO 120 Ca -0.07 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1abj s PRO 120 Cb -0.09 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1abj s PRO 120 CO -0.18 -1.84 0.10 0.54 0.04 0.00 0.00 177.00 175.66 1abj s VAL 121 N -2.86 4.45 0.50 -0.36 0.11 -0.78 -4.91 120.40 116.56 1abj s VAL 121 Ca 0.62 -0.96 -0.09 0.00 -2.93 0.00 0.00 61.98 58.62 1abj s VAL 121 Cb -0.18 -3.21 -0.05 0.00 -1.53 0.00 0.00 36.38 31.41 1abj s VAL 121 CO 0.56 0.00 0.87 0.00 -3.33 0.00 0.00 175.10 173.20 1abj s LEU 123 N -4.55 4.27 0.57 0.00 1.43 -1.26 -0.81 118.68 118.34 1abj s LEU 123 Ca 0.52 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 1abj s LEU 123 Cb -0.10 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 1abj s LEU 123 CO 0.42 0.31 1.03 -2.16 0.23 0.00 0.00 176.35 176.18 1abj s PRO 124 N -1.60 3.56 0.59 1.29 0.04 -1.26 -4.89 135.00 132.73 1abj s PRO 124 Ca 0.22 1.03 0.10 0.00 0.04 0.00 0.00 61.00 62.39 1abj s PRO 124 Cb -0.12 -2.07 0.10 0.00 0.04 0.00 0.00 34.50 32.44 1abj s PRO 124 CO 0.13 -0.60 0.82 0.16 0.04 0.00 0.00 177.00 177.55 1abj s ASP 125 N -3.14 5.03 0.16 6.66 -4.77 -1.26 -4.92 116.67 114.43 1abj s ASP 125 Ca 0.60 -0.88 -0.15 0.00 -3.30 0.00 0.00 52.55 48.82 1abj s ASP 125 Cb -0.13 0.39 0.09 0.00 -1.09 0.00 0.00 42.92 42.18 1abj s ASP 125 CO 0.38 -1.41 1.74 0.03 0.70 0.00 0.00 175.17 176.61 1abj h ARG 126 N 0.11 0.27 0.56 2.11 3.08 -1.99 -3.05 114.38 115.48 1abj h ARG 126 Ca -0.29 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1abj h ARG 126 Cb 1.29 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 1abj h ARG 126 CO 0.40 0.18 -0.32 1.49 -1.07 0.00 0.00 179.97 180.65 1abj h GLU 127 N 0.27 -0.79 -1.35 0.04 4.57 -2.04 -3.02 114.58 112.26 1abj h GLU 127 Ca 0.19 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1abj h GLU 127 Cb 0.18 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1abj h GLU 127 CO -0.20 -0.53 0.00 2.41 -1.18 0.00 0.00 179.01 179.51 1abj n THR 128 N -5.46 0.17 0.00 0.32 -1.04 -1.15 -1.53 114.28 105.59 1abj n THR 128 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1abj n THR 128 Cb 0.35 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1abj n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1abj n ALA 129 N 0.75 0.00 -0.07 2.41 0.00 -1.14 -2.46 120.51 120.00 1abj n ALA 129 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1abj n ALA 129 Cb 0.10 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.58 1abj n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1abj h SER 129 N 0.00 0.85 0.00 0.00 0.87 -1.54 -3.37 113.55 110.36 1abj h SER 129 Ca 0.00 -0.39 -0.19 0.00 -1.23 0.00 0.00 61.79 59.98 1abj h SER 129 Cb 0.00 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 1abj h SER 129 CO 0.00 1.14 -2.05 0.18 -0.53 0.00 0.00 176.83 175.57 1abj n LEU 129 N -4.04 0.00 -4.22 2.23 4.77 -1.03 -4.70 117.00 110.01 1abj n LEU 129 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 1abj n LEU 129 Cb 0.54 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1abj n LEU 129 CO 0.47 0.26 1.83 0.18 -1.33 0.00 0.00 177.39 178.80 1abj n LEU 130 N -2.44 5.79 -4.22 2.23 4.77 -1.26 -4.84 117.00 117.03 1abj n LEU 130 Ca -0.18 -4.37 -0.28 0.00 -0.03 0.00 0.00 56.01 51.14 1abj n LEU 130 Cb 0.83 -1.61 -0.16 0.00 -2.33 0.00 0.00 43.42 40.15 1abj n LEU 130 CO 0.38 0.86 -0.53 -1.10 -1.33 0.00 0.00 177.39 175.66 1abj s GLN 131 N 1.93 1.91 0.57 3.23 -0.21 -1.26 -4.89 119.66 120.94 1abj s GLN 131 Ca 0.45 -0.76 -0.21 0.00 0.02 0.00 0.00 55.36 54.86 1abj s GLN 131 Cb 0.04 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.26 1abj s GLN 131 CO 0.01 0.39 1.29 0.00 -2.12 0.00 0.00 175.29 174.86 1abj n ALA 132 N 2.78 1.29 0.00 6.09 0.00 -1.26 -1.05 120.51 128.36 1abj n ALA 132 Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1abj n ALA 132 Cb 0.53 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1abj n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1abj n GLY 133 N 0.87 3.02 3.71 0.00 0.00 0.16 -4.91 105.19 108.04 1abj n GLY 133 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1abj n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1abj s TYR 134 N -1.34 3.38 0.14 1.61 1.51 -0.21 -4.53 117.35 117.90 1abj s TYR 134 Ca 0.00 1.23 -0.26 0.00 -1.01 0.00 0.00 57.07 57.02 1abj s TYR 134 Cb 0.00 -3.47 -0.07 0.00 -0.11 0.00 0.00 41.96 38.31 1abj s TYR 134 CO 0.00 -1.50 0.81 0.15 -1.11 0.00 0.00 175.55 173.91 1abj s LYS 135 N 1.14 4.60 0.19 -0.62 1.02 -1.26 0.13 119.74 124.95 1abj s LYS 135 Ca 0.60 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.80 1abj s LYS 135 Cb -0.31 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1abj s LYS 135 CO 0.29 0.45 0.03 0.41 -0.92 0.00 0.00 175.35 175.61 1abj n GLY 136 N 1.85 3.78 3.00 -3.33 0.00 0.22 -4.91 105.19 105.80 1abj n GLY 136 Ca -0.04 -2.26 -0.16 0.00 0.00 0.00 0.00 46.02 43.56 1abj n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1abj s ARG 137 N -2.72 0.51 0.06 1.61 3.52 -0.01 -1.13 118.95 120.79 1abj s ARG 137 Ca 0.02 -0.36 0.08 0.00 -0.13 0.00 0.00 55.73 55.34 1abj s ARG 137 Cb -0.00 -0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 1abj s ARG 137 CO 0.01 0.12 -0.23 0.08 -0.81 0.00 0.00 175.30 174.47 1abj s VAL 138 N -0.45 1.84 0.06 7.11 1.01 0.67 -1.38 120.40 129.27 1abj s VAL 138 Ca -0.00 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.67 1abj s VAL 138 Cb -0.04 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1abj s VAL 138 CO -0.00 0.20 -0.12 0.42 0.00 0.00 0.00 175.10 175.59 1abj s THR 139 N -0.88 0.95 0.00 3.92 -4.23 -1.26 0.11 115.64 114.26 1abj s THR 139 Ca 0.09 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1abj s THR 139 Cb -0.09 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1abj s THR 139 CO 0.03 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1abj n GLY 140 N 1.39 -0.44 0.04 3.99 0.00 -0.43 -4.61 105.19 105.14 1abj n GLY 140 Ca -0.21 -0.93 0.02 0.00 0.00 0.00 0.00 46.02 44.90 1abj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1abj n TRP 141 N -0.02 0.00 -1.37 1.61 8.01 -1.26 -0.36 117.44 124.06 1abj n TRP 141 Ca 0.00 -0.51 -0.29 0.00 -1.31 0.00 0.00 57.50 55.39 1abj n TRP 141 Cb 0.00 -0.07 0.23 0.00 -2.01 0.00 0.00 31.31 29.46 1abj n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1abj n GLY 142 N -0.61 -2.28 3.63 6.99 0.00 -1.25 -4.66 105.19 107.00 1abj n GLY 142 Ca 0.04 -1.58 -0.48 0.00 0.00 0.00 0.00 46.02 44.00 1abj n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1abj n ASN 143 N -4.45 2.30 0.02 1.61 3.02 0.01 -2.20 115.26 115.56 1abj n ASN 143 Ca 0.15 1.11 0.14 0.00 -0.03 0.00 0.00 54.58 55.96 1abj n ASN 143 Cb 0.57 -1.32 0.55 0.00 -0.61 0.00 0.00 39.78 38.98 1abj n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1abj n LEU 144 N 2.68 0.18 -3.84 3.41 4.77 -0.35 -0.48 117.00 123.37 1abj n LEU 144 Ca 0.16 0.48 -0.07 0.00 -0.03 0.00 0.00 56.01 56.54 1abj n LEU 144 Cb 0.26 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1abj n LEU 144 CO 0.62 -0.02 0.50 -1.59 -1.33 0.00 0.00 177.39 175.57 1abj s LYS 145 N -3.02 1.92 -0.82 3.23 0.00 -1.26 -4.50 119.74 115.29 1abj s LYS 145 Ca 0.13 -1.13 -0.25 0.00 0.00 0.00 0.00 55.97 54.72 1abj s LYS 145 Cb 0.18 0.61 0.00 0.00 0.00 0.00 0.00 37.83 38.62 1abj s LYS 145 CO 0.56 -0.89 1.62 -1.21 0.00 0.00 0.00 175.35 175.43 1abj s GLU 146 N -3.38 3.01 0.19 1.78 2.02 -1.26 -4.88 118.70 116.18 1abj s GLU 146 Ca 0.13 -0.27 0.26 0.00 0.02 0.00 0.00 54.97 55.11 1abj s GLU 146 Cb -0.06 -4.74 0.88 0.00 0.10 0.00 0.00 34.13 30.32 1abj s GLU 146 CO 0.08 -2.59 1.78 2.41 0.02 0.00 0.00 175.26 176.97 1abj n THR 147 N 7.06 0.55 1.57 3.63 -1.04 -1.26 -3.96 114.28 120.84 1abj n THR 147 Ca 0.23 -0.19 0.12 0.00 -2.04 0.00 0.00 64.05 62.18 1abj n THR 147 Cb 0.50 -0.64 0.54 0.00 -1.82 0.00 0.00 70.33 68.91 1abj n THR 147 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 1abj n TRP 148 N -2.16 0.08 -4.04 -1.42 4.27 -1.26 -4.78 117.44 108.13 1abj n TRP 148 Ca 0.05 -0.04 -0.11 0.00 -3.89 0.00 0.00 57.50 53.51 1abj n TRP 148 Cb 0.40 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.23 1abj n TRP 148 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1abj s THR 149 N -1.92 0.40 -0.07 -1.67 -4.23 -1.25 -5.12 115.64 101.77 1abj s THR 149 Ca 0.35 -1.08 -0.37 0.00 -1.18 0.00 0.00 61.69 59.41 1abj s THR 149 Cb 0.18 -0.57 -0.15 0.00 1.34 0.00 0.00 72.50 73.30 1abj s THR 149 CO 0.29 -0.46 1.64 0.00 -0.54 0.00 0.00 174.62 175.54 1abj n ALA 149 N 1.40 0.06 -2.75 3.99 0.00 -1.26 -4.94 120.51 117.01 1abj n ALA 149 Ca -0.22 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 1abj n ALA 149 Cb 0.55 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 1abj n ALA 149 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1abj s ASN 149 N 2.39 0.00 0.18 0.00 0.01 -1.26 -5.08 114.94 111.17 1abj s ASN 149 Ca 0.90 -0.67 0.05 0.00 -0.71 0.00 0.00 52.86 52.44 1abj s ASN 149 Cb -0.90 0.42 -0.04 0.00 0.41 0.00 0.00 41.25 41.14 1abj s ASN 149 CO 0.53 -0.84 0.15 -0.69 -1.51 0.00 0.00 177.10 174.74 1abj s VAL 149 N -3.89 4.49 0.00 1.60 1.01 -1.26 -5.04 120.40 117.30 1abj s VAL 149 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1abj s VAL 149 Cb 0.03 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1abj s VAL 149 CO -0.06 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.51 1abj n GLY 149 N -0.46 -0.01 3.79 4.51 0.00 -1.26 -4.98 105.19 106.78 1abj n GLY 149 Ca -0.08 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 1abj n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1abj s LYS 149 N -2.19 3.55 0.00 1.61 -2.85 -1.26 -4.97 119.74 113.62 1abj s LYS 149 Ca 0.00 1.36 0.23 0.00 -1.00 0.00 0.00 55.97 56.56 1abj s LYS 149 Cb 0.00 -2.06 0.12 0.00 -2.06 0.00 0.00 37.83 33.84 1abj s LYS 149 CO 0.00 -0.64 1.15 0.41 0.10 0.00 0.00 175.35 176.37 1abj n GLY 150 N -0.41 -1.12 3.29 0.59 0.00 -1.26 -4.65 105.19 101.63 1abj n GLY 150 Ca 0.10 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1abj n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1abj s GLN 151 N -3.00 0.53 0.61 1.61 -2.07 -1.26 -1.21 119.66 114.86 1abj s GLN 151 Ca 0.09 0.40 -0.13 0.00 -1.82 0.00 0.00 55.36 53.90 1abj s GLN 151 Cb 0.17 0.25 -0.03 0.00 -1.09 0.00 0.00 33.01 32.30 1abj s GLN 151 CO 0.79 -0.09 1.03 -1.25 -1.32 0.00 0.00 175.29 174.45 1abj s PRO 152 N -0.15 3.43 -0.01 9.60 0.04 -1.26 -4.95 135.00 141.71 1abj s PRO 152 Ca -0.03 0.96 0.09 0.00 0.04 0.00 0.00 61.00 62.06 1abj s PRO 152 Cb -0.03 -2.06 -0.23 0.00 0.04 0.00 0.00 34.50 32.22 1abj s PRO 152 CO 0.02 -0.70 0.81 1.03 0.04 0.00 0.00 177.00 178.19 1abj h SER 153 N 0.03 0.05 -2.88 6.66 0.87 -1.97 -3.45 113.55 112.87 1abj h SER 153 Ca -0.45 -0.08 -0.55 0.00 -1.23 0.00 0.00 61.79 59.48 1abj h SER 153 Cb 1.20 -0.02 -0.13 0.00 -0.44 0.00 0.00 62.40 63.01 1abj h SER 153 CO 0.59 1.07 -0.54 -0.69 -0.53 0.00 0.00 176.83 176.74 1abj s VAL 154 N -2.62 0.82 0.24 2.23 1.01 -1.26 -1.38 120.40 119.44 1abj s VAL 154 Ca -0.04 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.64 1abj s VAL 154 Cb 0.08 -2.45 -0.10 0.00 0.00 0.00 0.00 36.38 33.91 1abj s VAL 154 CO 0.82 0.00 1.37 -0.22 0.00 0.00 0.00 175.10 177.07 1abj s LEU 155 N -3.60 4.41 -0.06 3.92 2.96 -0.76 -4.84 118.68 120.70 1abj s LEU 155 Ca 0.25 2.56 -0.05 0.00 -0.22 0.00 0.00 54.13 56.67 1abj s LEU 155 Cb 0.04 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1abj s LEU 155 CO 0.14 -0.60 0.17 -1.10 -1.32 0.00 0.00 176.35 173.63 1abj s GLN 156 N -0.47 3.45 -0.03 1.98 -1.52 0.52 0.72 119.66 124.31 1abj s GLN 156 Ca 0.57 -0.22 0.02 0.00 -1.95 0.00 0.00 55.36 53.78 1abj s GLN 156 Cb -0.39 -3.14 0.01 0.00 -0.22 0.00 0.00 33.01 29.26 1abj s GLN 156 CO 0.42 0.72 -0.09 0.54 -0.25 0.00 0.00 175.29 176.64 1abj s VAL 157 N -1.19 0.77 0.01 1.09 0.11 0.60 -1.31 120.40 120.48 1abj s VAL 157 Ca 0.22 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1abj s VAL 157 Cb -0.12 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1abj s VAL 157 CO 0.12 0.25 -0.11 0.54 -3.33 0.00 0.00 175.10 172.57 1abj s VAL 158 N 0.32 0.84 -0.30 2.04 0.11 0.30 -1.61 120.40 122.10 1abj s VAL 158 Ca -0.05 -0.64 -0.06 0.00 -2.93 0.00 0.00 61.98 58.30 1abj s VAL 158 Cb -0.10 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1abj s VAL 158 CO 0.01 0.09 0.06 0.20 -3.33 0.00 0.00 175.10 172.13 1abj s ASN 159 N -0.62 5.04 -0.01 3.54 0.01 -1.26 0.24 114.94 121.88 1abj s ASN 159 Ca 0.02 -0.83 0.06 0.00 -0.71 0.00 0.00 52.86 51.40 1abj s ASN 159 Cb -0.05 -1.84 -0.02 0.00 0.41 0.00 0.00 41.25 39.75 1abj s ASN 159 CO 0.00 -0.21 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.43 1abj s LEU 160 N 1.45 2.05 0.48 0.60 1.43 -0.28 -4.92 118.68 119.48 1abj s LEU 160 Ca 0.01 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 1abj s LEU 160 Cb -0.18 -1.00 -0.09 0.00 0.03 0.00 0.00 46.19 44.95 1abj s LEU 160 CO 0.01 0.23 0.99 -2.16 0.23 0.00 0.00 176.35 175.66 1abj s PRO 161 N -0.53 3.97 0.36 1.29 0.04 -1.26 0.72 135.00 139.58 1abj s PRO 161 Ca 0.07 1.18 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 1abj s PRO 161 Cb -0.08 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 1abj s PRO 161 CO -0.00 -0.26 0.98 0.42 0.04 0.00 0.00 177.00 178.17 1abj s ILE 162 N -2.21 4.08 0.08 0.56 1.01 0.12 -1.27 121.20 123.56 1abj s ILE 162 Ca 0.63 1.63 0.06 0.00 0.00 0.00 0.00 60.65 62.97 1abj s ILE 162 Cb -0.12 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1abj s ILE 162 CO 0.20 0.04 -0.06 -0.69 0.00 0.00 0.00 174.94 174.44 1abj s VAL 163 N -1.70 3.63 0.04 2.92 1.01 -1.08 0.39 120.40 125.61 1abj s VAL 163 Ca 0.54 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1abj s VAL 163 Cb -0.19 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 1abj s VAL 163 CO 0.24 0.17 1.82 -1.61 0.00 0.00 0.00 175.10 175.72 1abj s GLU 164 N -2.09 4.16 0.28 2.72 8.01 -1.26 -4.71 118.70 125.80 1abj s GLU 164 Ca 0.22 2.47 0.10 0.00 0.01 0.00 0.00 54.97 57.77 1abj s GLU 164 Cb -0.11 -3.94 0.88 0.00 -4.31 0.00 0.00 34.13 26.64 1abj s GLU 164 CO 0.14 -0.88 1.29 0.54 0.01 0.00 0.00 175.26 176.36 1abj n ARG 165 N 6.84 -0.06 -0.22 1.61 1.74 -1.26 0.56 116.66 125.87 1abj n ARG 165 Ca 0.18 1.17 -0.07 0.00 -0.77 0.00 0.00 57.85 58.37 1abj n ARG 165 Cb 0.41 -1.99 0.04 0.00 -1.02 0.00 0.00 32.46 29.90 1abj n ARG 165 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1abj h PRO 166 N 0.00 0.86 0.19 5.56 0.11 -1.98 1.78 132.00 138.53 1abj h PRO 166 Ca 0.60 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.61 1abj h PRO 166 Cb 1.45 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1abj h PRO 166 CO -0.70 0.65 -0.16 0.28 -0.21 0.00 0.00 178.00 177.87 1abj h VAL 167 N 0.83 0.65 -0.43 3.15 2.07 -0.25 0.87 116.25 123.15 1abj h VAL 167 Ca 0.22 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.81 1abj h VAL 167 Cb 0.05 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 1abj h VAL 167 CO -0.03 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.57 1abj h LYS 169 N 0.13 0.47 0.00 0.00 3.64 0.33 -2.63 116.57 118.51 1abj h LYS 169 Ca 0.21 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1abj h LYS 169 Cb 0.30 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1abj h LYS 169 CO -0.34 0.31 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.39 1abj h ASP 170 N 0.49 0.00 0.34 4.20 3.32 -0.38 -3.29 116.42 121.09 1abj h ASP 170 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1abj h ASP 170 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1abj h ASP 170 CO -0.17 0.20 0.00 -1.54 -1.72 0.00 0.00 179.24 176.02 1abj n SER 171 N -3.10 0.00 -3.72 6.45 3.41 -0.18 -4.84 113.62 111.64 1abj n SER 171 Ca 0.02 0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.76 1abj n SER 171 Cb 0.62 -0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 1abj n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1abj s THR 172 N -2.76 0.05 -1.88 6.66 -1.32 -1.24 -4.79 115.64 110.35 1abj s THR 172 Ca 0.10 -0.42 0.30 0.00 -1.21 0.00 0.00 61.69 60.46 1abj s THR 172 Cb 0.09 -0.72 0.66 0.00 -1.51 0.00 0.00 72.50 71.02 1abj s THR 172 CO 0.22 -0.23 2.02 0.54 -2.21 0.00 0.00 174.62 174.95 1abj n ARG 173 N 1.11 0.92 -2.64 7.08 3.00 -1.26 -4.79 116.66 120.09 1abj n ARG 173 Ca -0.21 -0.22 -0.42 0.00 -0.01 0.00 0.00 57.85 56.99 1abj n ARG 173 Cb 0.57 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.50 1abj n ARG 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1abj s ILE 174 N -2.23 4.57 -0.26 0.55 1.01 -1.26 -4.99 121.20 118.60 1abj s ILE 174 Ca 0.38 1.90 -0.28 0.00 0.00 0.00 0.00 60.65 62.64 1abj s ILE 174 Cb 0.21 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1abj s ILE 174 CO 0.41 0.18 1.95 -0.60 0.00 0.00 0.00 174.94 176.88 1abj s ARG 175 N 0.80 3.34 0.64 2.79 3.52 -1.26 -5.00 118.95 123.78 1abj s ARG 175 Ca 0.53 1.74 -0.08 0.00 -0.13 0.00 0.00 55.73 57.79 1abj s ARG 175 Cb -0.24 -4.25 0.02 0.00 -1.56 0.00 0.00 34.95 28.92 1abj s ARG 175 CO 0.29 -1.85 0.97 0.42 -0.81 0.00 0.00 175.30 174.32 1abj s ILE 176 N 7.13 3.47 0.33 4.11 -1.09 -1.26 -4.80 121.20 129.10 1abj s ILE 176 Ca 0.87 0.13 -0.08 0.00 -2.23 0.00 0.00 60.65 59.34 1abj s ILE 176 Cb -0.28 -3.42 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 1abj s ILE 176 CO 0.34 -0.47 0.55 0.42 -1.23 0.00 0.00 174.94 174.55 1abj s THR 177 N -3.13 0.00 0.39 2.92 -4.23 -1.26 -5.06 115.64 105.27 1abj s THR 177 Ca 0.56 -1.41 0.14 0.00 -1.18 0.00 0.00 61.69 59.80 1abj s THR 177 Cb -0.11 -2.59 0.12 0.00 1.34 0.00 0.00 72.50 71.26 1abj s THR 177 CO 0.47 0.00 1.87 0.44 -0.54 0.00 0.00 174.62 176.87 1abj h ASP 178 N 2.11 0.00 0.00 3.99 3.32 -2.03 -2.22 116.42 121.59 1abj h ASP 178 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1abj h ASP 178 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1abj h ASP 178 CO 0.38 0.32 0.00 0.59 -1.72 0.00 0.00 179.24 178.81 1abj n ASN 179 N -4.12 0.00 -4.35 6.45 3.02 -1.26 -4.81 115.26 110.20 1abj n ASN 179 Ca -0.02 -0.97 -0.18 0.00 -0.03 0.00 0.00 54.58 53.38 1abj n ASN 179 Cb 0.36 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.43 1abj n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1abj s MET 180 N -2.00 1.33 -0.13 3.52 -1.94 -0.83 0.88 119.30 120.13 1abj s MET 180 Ca 0.13 -1.62 -0.20 0.00 -1.71 0.00 0.00 55.69 52.28 1abj s MET 180 Cb 0.06 -0.96 0.05 0.00 2.01 0.00 0.00 34.83 35.98 1abj s MET 180 CO 0.10 0.09 0.51 -0.59 -0.01 0.00 0.00 175.02 175.12 1abj s PHE 181 N -3.11 -0.51 0.12 -0.03 -0.12 -0.79 -4.82 117.98 108.72 1abj s PHE 181 Ca 0.24 1.11 0.08 0.00 -0.05 0.00 0.00 56.93 58.31 1abj s PHE 181 Cb 0.02 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 1abj s PHE 181 CO 0.07 -0.37 -0.13 0.00 -0.05 0.00 0.00 175.22 174.74 1abj s ALA 183 N -1.28 -0.27 0.00 0.00 0.00 -0.61 -2.63 121.76 116.97 1abj s ALA 183 Ca 0.21 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1abj s ALA 183 Cb -0.10 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1abj s ALA 183 CO 0.13 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1abj n GLY 184 N 0.27 1.35 3.87 0.00 0.00 -0.40 -2.37 105.19 107.91 1abj n GLY 184 Ca -0.17 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 1abj n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1abj s TYR 184 N -1.17 3.60 0.21 1.61 2.02 -1.26 -4.50 117.35 117.86 1abj s TYR 184 Ca 0.00 1.32 -0.07 0.00 -0.37 0.00 0.00 57.07 57.95 1abj s TYR 184 Cb 0.00 -2.73 -0.06 0.00 -0.40 0.00 0.00 41.96 38.77 1abj s TYR 184 CO 0.00 -0.63 0.49 0.15 -1.57 0.00 0.00 175.55 173.99 1abj s LYS 185 N -4.97 3.69 0.62 -0.62 1.02 -1.26 -4.86 119.74 113.37 1abj s LYS 185 Ca 0.56 0.07 0.38 0.00 0.02 0.00 0.00 55.97 57.00 1abj s LYS 185 Cb -0.11 -2.72 2.09 0.00 -0.52 0.00 0.00 37.83 36.57 1abj s LYS 185 CO 0.50 0.35 2.18 -1.00 -0.92 0.00 0.00 175.35 176.45 1abj h PRO 186 N 2.43 0.00 -0.49 -1.68 0.14 -1.96 -1.56 132.00 128.89 1abj h PRO 186 Ca -0.47 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.67 1abj h PRO 186 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.31 1abj h PRO 186 CO 0.70 0.00 0.00 -0.40 0.14 0.00 0.00 178.00 178.44 1abj n ASP 186 N -2.92 4.39 -0.00 1.44 5.68 -1.26 -4.21 116.55 119.67 1abj n ASP 186 Ca -0.03 -2.60 -0.00 0.00 -0.50 0.00 0.00 54.79 51.66 1abj n ASP 186 Cb 0.13 -0.53 -0.11 0.00 -1.14 0.00 0.00 41.12 39.47 1abj n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1abj n GLU 186 N 0.52 0.64 0.00 0.11 1.02 -0.59 -4.99 120.64 117.36 1abj n GLU 186 Ca 0.23 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1abj n GLU 186 Cb 0.87 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1abj n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1abj n GLY 186 N 1.45 2.76 3.90 0.62 0.00 -1.26 -5.01 105.19 107.65 1abj n GLY 186 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1abj n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1abj s LYS 186 N -0.25 3.63 0.35 1.61 1.02 -1.26 -5.10 119.74 119.74 1abj s LYS 186 Ca 0.00 -0.07 0.02 0.00 0.02 0.00 0.00 55.97 55.95 1abj s LYS 186 Cb 0.00 -2.81 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1abj s LYS 186 CO 0.00 0.43 0.09 0.54 -0.92 0.00 0.00 175.35 175.48 1abj n ARG 187 N -0.08 0.75 0.00 1.68 1.74 -1.26 -4.75 116.66 114.74 1abj n ARG 187 Ca -0.02 -2.84 0.00 0.00 -0.77 0.00 0.00 57.85 54.21 1abj n ARG 187 Cb 0.52 1.32 0.00 0.00 -1.02 0.00 0.00 32.46 33.28 1abj n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1abj n GLY 188 N -0.11 4.15 0.00 -0.13 0.00 -1.25 -4.91 105.19 102.93 1abj n GLY 188 Ca -0.08 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1abj n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1abj n ASP 189 N 0.00 0.00 -4.94 1.61 2.03 -0.82 -4.66 116.55 109.77 1abj n ASP 189 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 1abj n ASP 189 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1abj n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1abj s ALA 190 N -2.00 4.27 0.12 -1.67 0.00 -1.26 -0.75 121.76 120.47 1abj s ALA 190 Ca 0.00 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.21 1abj s ALA 190 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1abj s ALA 190 CO 0.00 -0.80 0.18 0.00 0.00 0.00 0.00 175.76 175.14 1abj n GLU 192 N -0.19 2.01 -0.06 0.00 4.71 -1.26 -1.41 120.64 124.44 1abj n GLU 192 Ca -0.00 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.86 1abj n GLU 192 Cb 0.20 -2.32 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 1abj n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1abj n GLY 193 N 0.81 1.56 0.10 0.62 0.00 -1.26 -0.81 105.19 106.21 1abj n GLY 193 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1abj n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1abj h ASP 194 N 0.00 0.15 -1.61 1.61 3.32 -1.55 -3.34 116.42 115.00 1abj h ASP 194 Ca 0.00 -0.30 -0.60 0.00 0.02 0.00 0.00 57.03 56.15 1abj h ASP 194 Cb 0.00 -0.05 0.15 0.00 0.22 0.00 0.00 39.33 39.65 1abj h ASP 194 CO 0.00 1.26 -0.91 -1.20 -1.72 0.00 0.00 179.24 176.67 1abj n SER 195 N -3.23 -2.76 0.00 6.45 7.64 -1.26 -1.93 113.62 118.53 1abj n SER 195 Ca -0.19 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1abj n SER 195 Cb 1.04 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1abj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1abj n GLY 196 N 2.26 2.83 3.73 0.23 0.00 -0.79 -1.50 105.19 111.96 1abj n GLY 196 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1abj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1abj s GLY 197 N -1.38 2.58 0.43 -0.02 0.00 -0.81 -3.17 107.32 104.95 1abj s GLY 197 Ca 0.00 1.01 -0.20 0.00 0.00 0.00 0.00 44.72 45.53 1abj s GLY 197 CO 0.00 1.42 0.94 2.56 0.00 0.00 0.00 173.10 178.02 1abj s PRO 198 N -3.64 4.18 -0.39 2.90 0.04 -1.26 -0.61 135.00 136.22 1abj s PRO 198 Ca 0.77 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1abj s PRO 198 Cb -0.32 -2.19 0.10 0.00 0.04 0.00 0.00 34.50 32.13 1abj s PRO 198 CO 0.41 -0.04 0.18 0.12 0.04 0.00 0.00 177.00 177.71 1abj s PHE 199 N -2.22 3.54 0.14 0.56 2.19 0.26 -4.01 117.98 118.44 1abj s PHE 199 Ca 0.61 -2.32 0.04 0.00 0.33 0.00 0.00 56.93 55.59 1abj s PHE 199 Cb -0.09 -3.07 -0.04 0.00 -1.31 0.00 0.00 43.02 38.51 1abj s PHE 199 CO 0.15 -0.95 0.14 0.14 1.83 0.00 0.00 175.22 176.54 1abj s VAL 200 N 1.16 4.60 0.01 3.12 -7.23 -0.48 -1.13 120.40 120.44 1abj s VAL 200 Ca 0.06 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 1abj s VAL 200 Cb -0.22 -3.32 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 1abj s VAL 200 CO -0.04 -0.04 -0.05 -0.04 -0.31 0.00 0.00 175.10 174.62 1abj s MET 201 N -2.93 0.38 -0.08 4.82 -1.94 0.28 -0.83 119.30 119.00 1abj s MET 201 Ca 0.31 -0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 53.89 1abj s MET 201 Cb -0.11 -0.31 -0.05 0.00 2.01 0.00 0.00 34.83 36.38 1abj s MET 201 CO 0.24 0.08 0.28 0.21 -0.01 0.00 0.00 175.02 175.82 1abj s LYS 202 N -0.43 3.80 -0.19 2.03 2.20 -1.26 0.18 119.74 126.06 1abj s LYS 202 Ca -0.01 0.14 -0.20 0.00 -0.36 0.00 0.00 55.97 55.54 1abj s LYS 202 Cb -0.04 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1abj s LYS 202 CO -0.00 0.64 0.59 0.45 -0.36 0.00 0.00 175.35 176.67 1abj s SER 203 N -0.77 6.65 0.53 1.43 0.15 0.11 -4.91 113.70 116.89 1abj s SER 203 Ca 0.19 0.79 0.31 0.00 0.70 0.00 0.00 55.95 57.94 1abj s SER 203 Cb -0.14 -2.33 1.28 0.00 -1.71 0.00 0.00 66.02 63.12 1abj s SER 203 CO 0.08 -0.23 1.96 1.55 1.20 0.00 0.00 173.24 177.79 1abj h PRO 204 N 7.45 0.00 0.08 5.44 0.13 -1.97 0.50 132.00 143.64 1abj h PRO 204 Ca -0.32 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.66 1abj h PRO 204 Cb 1.15 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.29 1abj h PRO 204 CO 0.76 0.05 -0.61 0.74 -0.23 0.00 0.00 178.00 178.71 1abj h PHE 204 N 0.00 0.45 0.00 1.56 0.04 -1.96 -3.41 116.94 113.62 1abj h PHE 204 Ca -0.00 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.46 1abj h PHE 204 Cb 0.55 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1abj h PHE 204 CO 0.00 1.20 -0.24 0.27 -0.60 0.00 0.00 178.31 178.95 1abj n ASN 204 N -4.24 0.90 -3.72 2.17 2.04 -1.15 -5.01 115.26 106.25 1abj n ASN 204 Ca -0.12 -2.20 -0.27 0.00 -0.44 0.00 0.00 54.58 51.54 1abj n ASN 204 Cb 0.72 -0.23 -0.03 0.00 -2.53 0.00 0.00 39.78 37.71 1abj n ASN 204 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1abj n ASN 205 N -0.49 -2.51 -4.50 0.53 2.04 0.18 -4.94 115.26 105.57 1abj n ASN 205 Ca 0.05 -0.60 -0.32 0.00 -0.44 0.00 0.00 54.58 53.27 1abj n ASN 205 Cb 0.62 -2.14 -0.12 0.00 -2.53 0.00 0.00 39.78 35.60 1abj n ASN 205 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1abj s ARG 206 N -6.36 2.45 0.00 -3.83 0.52 -1.25 -4.82 118.95 105.66 1abj s ARG 206 Ca 0.52 -0.74 -0.23 0.00 -0.52 0.00 0.00 55.73 54.76 1abj s ARG 206 Cb -0.29 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.75 1abj s ARG 206 CO 0.64 0.61 0.69 -1.58 0.02 0.00 0.00 175.30 175.68 1abj s TRP 207 N -0.81 3.69 0.11 -0.53 0.52 -1.26 0.04 118.94 120.70 1abj s TRP 207 Ca 0.13 1.32 0.08 0.00 0.02 0.00 0.00 56.10 57.66 1abj s TRP 207 Cb -0.11 -2.73 -0.04 0.00 -1.15 0.00 0.00 33.47 29.44 1abj s TRP 207 CO 0.02 0.27 -0.21 0.71 0.02 0.00 0.00 176.95 177.77 1abj s TYR 208 N 0.05 1.79 -0.48 -1.98 1.51 0.47 -2.79 117.35 115.93 1abj s TYR 208 Ca 0.35 -0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 55.80 1abj s TYR 208 Cb -0.19 -0.98 0.05 0.00 -0.11 0.00 0.00 41.96 40.73 1abj s TYR 208 CO 0.20 0.21 0.61 -1.14 -1.11 0.00 0.00 175.55 174.33 1abj s GLN 209 N -1.97 3.16 -0.13 -0.62 0.74 0.01 -0.56 119.66 120.30 1abj s GLN 209 Ca 0.07 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.76 1abj s GLN 209 Cb -0.10 -4.05 -0.24 0.00 1.10 0.00 0.00 33.01 29.73 1abj s GLN 209 CO 0.04 -1.14 0.32 -1.33 -0.55 0.00 0.00 175.29 172.64 1abj n MET 210 N 6.16 0.70 -4.18 1.67 2.81 -0.29 -4.21 117.12 119.78 1abj n MET 210 Ca -0.05 0.23 -0.11 0.00 -1.81 0.00 0.00 57.70 55.95 1abj n MET 210 Cb 0.46 -1.68 -0.10 0.00 -0.71 0.00 0.00 33.22 31.19 1abj n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1abj s GLY 211 N -5.60 1.01 -0.16 3.03 0.00 -0.63 -1.77 107.32 103.20 1abj s GLY 211 Ca -0.18 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.07 1abj s GLY 211 CO 0.76 -1.44 -0.20 -0.42 0.00 0.00 0.00 173.10 171.80 1abj s ILE 212 N -3.84 2.13 0.16 0.90 1.01 -1.16 0.90 121.20 121.30 1abj s ILE 212 Ca 0.21 -0.94 -0.33 0.00 0.00 0.00 0.00 60.65 59.59 1abj s ILE 212 Cb 0.07 -1.87 -0.13 0.00 0.01 0.00 0.00 42.46 40.53 1abj s ILE 212 CO 0.01 0.54 1.64 0.52 0.00 0.00 0.00 174.94 177.65 1abj n VAL 213 N 4.31 0.05 0.00 2.92 0.31 0.22 -1.02 118.33 125.12 1abj n VAL 213 Ca -0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1abj n VAL 213 Cb 0.51 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1abj n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1abj n SER 214 N 3.81 0.00 -3.10 4.52 2.88 0.42 -1.88 113.62 120.27 1abj n SER 214 Ca 0.17 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.57 1abj n SER 214 Cb 0.31 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 1abj n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1abj s TRP 215 N -0.92 1.00 0.00 0.66 1.48 -0.87 -4.87 118.94 115.42 1abj s TRP 215 Ca 0.00 -1.28 0.00 0.00 -1.06 0.00 0.00 56.10 53.76 1abj s TRP 215 Cb 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 33.47 32.34 1abj s TRP 215 CO 0.00 -1.22 0.00 0.41 -4.06 0.00 0.00 176.95 172.08 1abj n GLY 216 N -0.59 0.84 3.07 3.67 0.00 -1.26 -1.97 105.19 108.95 1abj n GLY 216 Ca -0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 1abj n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1abj s GLU 217 N -2.00 1.99 2.72 1.61 2.02 -1.26 -4.99 118.70 118.79 1abj s GLU 217 Ca 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 53.44 1abj s GLU 217 Cb 0.00 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1abj s GLU 217 CO 0.00 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 174.96 1abj n GLY 219 N 4.40 -0.00 3.06 -1.39 0.00 -1.26 -4.78 105.19 105.21 1abj n GLY 219 Ca -0.07 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1abj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1abj n ASP 221 N 3.69 -5.92 -4.78 0.00 2.03 -1.26 -4.82 116.55 105.49 1abj n ASP 221 Ca -0.20 -0.01 -0.38 0.00 0.52 0.00 0.00 54.79 54.73 1abj n ASP 221 Cb 0.55 -4.93 -0.06 0.00 -0.72 0.00 0.00 41.12 35.96 1abj n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1abj s ARG 221 N -5.02 4.59 0.23 -0.67 0.52 -1.26 -4.94 118.95 112.39 1abj s ARG 221 Ca 0.00 1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 56.30 1abj s ARG 221 Cb 0.00 -2.86 -0.09 0.00 0.52 0.00 0.00 34.95 32.51 1abj s ARG 221 CO 0.00 0.27 1.33 -0.51 0.02 0.00 0.00 175.30 176.41 1abj s ASP 222 N -1.51 6.85 -0.25 0.23 1.01 -1.26 -2.83 116.67 118.91 1abj s ASP 222 Ca 0.49 2.49 0.00 0.00 0.71 0.00 0.00 52.55 56.24 1abj s ASP 222 Cb -0.21 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.11 1abj s ASP 222 CO 0.26 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.70 1abj n GLY 223 N 2.08 0.57 3.34 0.21 0.00 -1.26 -5.02 105.19 105.10 1abj n GLY 223 Ca 0.05 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1abj n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1abj s LYS 224 N -1.55 1.31 0.03 1.61 -0.14 -1.13 -4.76 119.74 115.12 1abj s LYS 224 Ca 0.00 -1.58 -0.07 0.00 -1.36 0.00 0.00 55.97 52.97 1abj s LYS 224 Cb 0.00 -1.10 -0.01 0.00 -1.68 0.00 0.00 37.83 35.05 1abj s LYS 224 CO 0.00 0.18 0.13 0.71 -0.76 0.00 0.00 175.35 175.61 1abj s TYR 225 N -2.97 0.14 0.49 3.18 1.51 -1.26 -4.80 117.35 113.64 1abj s TYR 225 Ca 0.22 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.71 1abj s TYR 225 Cb -0.01 -0.10 -0.09 0.00 -0.11 0.00 0.00 41.96 41.66 1abj s TYR 225 CO 0.06 -0.37 0.97 0.20 -1.11 0.00 0.00 175.55 175.30 1abj s GLY 226 N -2.01 2.17 -0.08 0.71 0.00 -1.00 -4.67 107.32 102.44 1abj s GLY 226 Ca -0.06 0.24 0.05 0.00 0.00 0.00 0.00 44.72 44.95 1abj s GLY 226 CO -0.04 0.52 -0.22 -1.36 0.00 0.00 0.00 173.10 172.01 1abj s PHE 227 N -2.48 2.54 -0.06 1.90 0.40 -0.83 -1.58 117.98 117.87 1abj s PHE 227 Ca 0.60 -0.71 0.06 0.00 -0.60 0.00 0.00 56.93 56.27 1abj s PHE 227 Cb -0.10 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 1abj s PHE 227 CO 0.26 -0.21 -0.25 0.71 0.70 0.00 0.00 175.22 176.43 1abj s TYR 228 N -0.06 2.40 0.17 0.36 1.51 -0.78 -0.44 117.35 120.52 1abj s TYR 228 Ca -0.06 -0.73 -0.31 0.00 -1.01 0.00 0.00 57.07 54.96 1abj s TYR 228 Cb -0.15 -1.58 -0.09 0.00 -0.11 0.00 0.00 41.96 40.03 1abj s TYR 228 CO 0.05 -0.22 1.48 0.99 -1.11 0.00 0.00 175.55 176.74 1abj s THR 229 N -0.13 2.85 -0.91 -0.71 2.01 -0.19 -1.88 115.64 116.69 1abj s THR 229 Ca -0.04 0.63 -0.25 0.00 0.31 0.00 0.00 61.69 62.34 1abj s THR 229 Cb -0.14 -3.40 0.04 0.00 0.01 0.00 0.00 72.50 69.01 1abj s THR 229 CO 0.04 0.06 1.41 -2.28 -0.69 0.00 0.00 174.62 173.16 1abj s HIS 230 N 0.89 2.40 0.14 4.92 2.46 0.26 -2.97 115.29 123.39 1abj s HIS 230 Ca 0.66 -0.48 -0.23 0.00 0.47 0.00 0.00 55.06 55.49 1abj s HIS 230 Cb -0.41 -4.65 0.01 0.00 -0.13 0.00 0.00 32.58 27.40 1abj s HIS 230 CO 0.33 -1.99 1.64 0.28 -2.47 0.00 0.00 174.74 172.53 1abj h VAL 231 N 6.53 0.45 -0.97 0.89 2.07 -1.66 -2.46 116.25 121.09 1abj h VAL 231 Ca 0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 1abj h VAL 231 Cb 1.03 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 1abj h VAL 231 CO 1.36 0.00 0.59 0.15 0.02 0.00 0.00 177.57 179.69 1abj h PHE 232 N -0.25 1.05 0.00 1.57 3.57 -1.86 0.19 116.94 121.21 1abj h PHE 232 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1abj h PHE 232 Cb 0.43 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 1abj h PHE 232 CO -0.35 0.33 -0.15 0.00 -2.23 0.00 0.00 178.31 175.91 1abj h ARG 233 N 0.85 0.00 -0.00 1.11 3.08 -1.81 -2.94 114.38 114.66 1abj h ARG 233 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1abj h ARG 233 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1abj h ARG 233 CO -0.32 0.15 -0.63 1.28 -1.07 0.00 0.00 179.97 179.38 1abj n LEU 234 N -3.84 1.00 -0.27 3.04 4.77 0.59 -4.56 117.00 117.73 1abj n LEU 234 Ca -0.02 -0.34 0.06 0.00 -0.03 0.00 0.00 56.01 55.68 1abj n LEU 234 Cb 0.25 -0.10 0.17 0.00 -2.33 0.00 0.00 43.42 41.41 1abj n LEU 234 CO 0.32 0.22 0.81 0.11 -1.33 0.00 0.00 177.39 177.52 1abj h LYS 235 N 0.58 0.08 -0.62 3.23 1.79 -1.16 -0.41 116.57 120.06 1abj h LYS 235 Ca 0.00 -0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1abj h LYS 235 Cb 0.54 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.08 1abj h LYS 235 CO 0.00 0.05 -0.54 0.87 -1.08 0.00 0.00 179.45 178.75 1abj h LYS 236 N 0.08 -0.22 -0.58 3.15 6.56 -1.82 1.16 116.57 124.91 1abj h LYS 236 Ca 0.43 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 60.01 1abj h LYS 236 Cb 0.77 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.46 1abj h LYS 236 CO -0.72 -0.14 0.26 2.35 -2.06 0.00 0.00 179.45 179.14 1abj h TRP 237 N -0.22 0.85 -0.31 -1.35 7.01 -1.75 -2.37 115.95 117.80 1abj h TRP 237 Ca 0.10 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1abj h TRP 237 Cb 0.49 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.25 1abj h TRP 237 CO -0.85 0.66 -0.30 0.82 -2.79 0.00 0.00 178.44 175.98 1abj h ILE 238 N 0.79 0.00 0.00 2.65 2.04 0.27 -1.83 117.51 121.43 1abj h ILE 238 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 1abj h ILE 238 Cb 0.15 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1abj h ILE 238 CO -0.02 0.00 -0.03 1.56 0.00 0.00 0.00 178.15 179.66 1abj h GLN 239 N -0.15 0.00 -0.37 2.37 4.20 0.32 -2.50 115.11 118.97 1abj h GLN 239 Ca 0.05 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1abj h GLN 239 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1abj h GLN 239 CO -0.37 0.03 -0.14 -0.22 -0.67 0.00 0.00 178.83 177.46 1abj h LYS 240 N 0.00 0.75 0.08 1.46 1.63 -0.82 -1.01 116.57 118.67 1abj h LYS 240 Ca -0.00 -0.31 -0.13 0.00 -0.85 0.00 0.00 60.65 59.36 1abj h LYS 240 Cb 0.06 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1abj h LYS 240 CO 0.00 0.92 -0.57 -0.39 -3.45 0.00 0.00 179.45 175.96 1abj h VAL 241 N 0.55 1.56 -0.89 2.00 -1.51 -1.15 -3.14 116.25 113.67 1abj h VAL 241 Ca 0.09 -2.38 0.10 0.00 -1.23 0.00 0.00 66.70 63.27 1abj h VAL 241 Cb 0.67 3.12 -0.06 0.00 -2.13 0.00 0.00 31.29 32.89 1abj h VAL 241 CO 0.05 0.66 0.58 0.40 -1.23 0.00 0.00 177.57 178.03 1abj h ILE 242 N -0.47 0.97 -0.03 7.19 2.04 -1.48 -2.72 117.51 123.02 1abj h ILE 242 Ca -0.09 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1abj h ILE 242 Cb 1.41 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1abj h ILE 242 CO 0.11 0.16 -0.08 0.47 0.00 0.00 0.00 178.15 178.81 1abj n ASP 243 N -4.53 2.78 -0.04 1.72 8.00 -0.39 -4.76 116.55 119.34 1abj n ASP 243 Ca 0.15 -1.89 -0.04 0.00 0.71 0.00 0.00 54.79 53.72 1abj n ASP 243 Cb 0.30 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1abj n ASP 243 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1abj h GLN 244 N 4.20 -0.10 -6.05 -1.24 5.75 -1.43 -3.43 115.11 112.82 1abj h GLN 244 Ca 0.00 0.01 -0.60 0.00 -0.15 0.00 0.00 58.65 57.91 1abj h GLN 244 Cb 0.93 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.46 1abj h GLN 244 CO 0.00 -0.07 -0.33 -0.06 -2.65 0.00 0.00 178.83 175.72 1abj s PHE 245 N -3.72 3.54 -2.68 3.99 0.40 -1.26 -5.14 117.98 113.11 1abj s PHE 245 Ca -0.04 0.59 0.27 0.00 -0.60 0.00 0.00 56.93 57.15 1abj s PHE 245 Cb 0.02 -2.02 0.74 0.00 0.51 0.00 0.00 43.02 42.27 1abj s PHE 245 CO 0.17 0.52 1.57 0.41 0.70 0.00 0.00 175.22 178.59